7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine

C46H29N3 — CID 58037752

IUPAC7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C46H29N3/c1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41/h1-29H
InChIKeyKZZRFZXMXCNHDF-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.01
Rot. Bonds4

About 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine

7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 58037752) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
PubChem CID58037752
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C46H29N3/c1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41/h1-29H
InChIKeyKZZRFZXMXCNHDF-UHFFFAOYSA-N
XLogP12.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?
The IUPAC name of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine (CID 58037752) is 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine is c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc(-c6ccc7ccc8ccccc8c7n6)cc5)ccc4n3c2-c2ccccc2)cc1.
What is the InChIKey of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?
The InChIKey is KZZRFZXMXCNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-12-33(13-4-1)44-45(35-14-5-2-6-15-35)49-42-28-26-36(29-40(42)38-17-9-10-18-39(38)46(49)48-44)30-19-22-32(23-20-30)41-27-25-34-24-21-31-11-7-8-16-37(31)43(34)47-41/h1-29H.
What are the key properties of 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine?
7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine has a molecular weight of 623.76 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzo[h]quinolin-2-ylphenyl)-2,3-diphenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58037752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).